Array
(
[0] => Array
(
[id] => 1879
[topology] => umq
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1452]
[space_group] => I4/mcm
[pearson] => tI32
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => umq
[sp_atoms] =>
[caid] => 628
[nn] => 0
[name] =>
[pressure] =>
[density] => 3.019
[e_gap] =>
[energy] => 0.471
[bulk_mod] => 359.8
[shear_mod] => 299.6
[vicker_hard] => 44.8
[ref_file] =>
[publ_year] =>
[ref] =>
)
[1] => Array
(
[id] => 1880
[topology] => umq
[link_rcsr] =>
[in_col] => 1
[transitivity] => [1452]
[space_group] => I4/mcm
[pearson] => tI32
[cn] => 4
[Year] => 2021
[cn_sort] => 004-
[topology_str] => umq
[sp_atoms] =>
[caid] => 628
[nn] => 1
[name] => umq
[pressure] =>
[density] =>
[e_gap] =>
[energy] =>
[bulk_mod] =>
[shear_mod] =>
[vicker_hard] =>
[ref_file] => /References/2021_npjComputMater_7_15
[publ_year] => 2021
[ref] => doi: <a href="http://doi.org/10.1038/s41524-021-00491-y" target="_blank">10.1038/s41524-021-00491-y</a>
)
)
|
SACADA Database Code: 628 Topology: umq # of independent nodes (IN): 1 Transitivity: [1452] Space Group: I4/mcm Pearson: tI32 Coordination Number (CN): 4 Year: 2021 Download CIF File Download PDF report |
|
Name |
Pressure, GPa |
Density, g/cm³ |
Gap, eV |
Relative energy, eV/atom |
Bulk, GPa |
Shear, GPa |
Vickers, GPa |
Refs |
|---|---|---|---|---|---|---|---|---|
| umq (SACADA #628) | 3.019 | 0.471 | 359.8 | 299.6 | 44.8 | SACADA¹ | ||
| umq | doi: 10.1038/s41524-021-00491-y |
| 8426.8969 | 1221.8447 | 1134.6383 | 0.0000 | 0.0000 | 0.0000 |
| 1221.8447 | 8426.8969 | 1134.6383 | -0.0000 | 0.0000 | -0.0000 |
| 1134.6383 | 1134.6383 | 8542.2527 | -0.0000 | -0.0000 | -0.0000 |
| -0.0000 | -0.0000 | -0.0000 | 1652.3758 | -0.0000 | -0.0000 |
| 0.0000 | 0.0000 | 0.0000 | -0.0000 | 3357.5781 | 0.0000 |
| 0.0000 | 0.0000 | -0.0000 | -0.0000 | -0.0000 | 3357.5781 |